5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide

C11H9ClN2O2 — CID 2739496

IUPAC5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O2/c1-13-11(15)9-10(16-6-14-9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,15)
InChIKeyQHPYTLGKEVJFDW-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.35
Rot. Bonds2

About 5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide

5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 2739496) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID2739496
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O2/c1-13-11(15)9-10(16-6-14-9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,15)
InChIKeyQHPYTLGKEVJFDW-UHFFFAOYSA-N
XLogP2.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide (CID 2739496) is 5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide is CNC(=O)c1ncoc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is QHPYTLGKEVJFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-13-11(15)9-10(16-6-14-9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,15).
What are the key properties of 5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide?
5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2739496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).